114433-94-2

Basic information

• Product Name: 1-(4-fluorophenyl)-4-methylpentane-1,3-dione
• Synonyms: 1-(4-fluorophenyl)-4-methylpentane-1,3-dione;1-(4-fluorophenyl)-4-Methyl-1,3-pentanedione;1-(4-fluorophenyl)-4-methyl-1,3-pentanedione(intermediate of Rosuvastatin)
• CAS NO: 114433-94-2
• Molecular Formula: C₁₂H₁₃FO₂
• Molecular Weight: 208.23
• EINECS: -0
• Mol File: 114433-94-2.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 300.4 °C at 760 mmHg
• Flash Point: 115.2 °C
• Appearance: light yellow clear liquid
• Density: 1.103 g/cm³
• Vapor Pressure: 0.00112mmHg at 25°C
• Refractive Index: 1.492
• PKA: 9.06±0.46(Predicted)
• CAS DataBase Reference: 1-(4-fluorophenyl)-4-methylpentane-1,3-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-fluorophenyl)-4-methylpentane-1,3-dione(114433-94-2)
• EPA Substance Registry System: 1-(4-fluorophenyl)-4-methylpentane-1,3-dione(114433-94-2)

Safety Data

• Hazardous Substances Data: 114433-94-2(Hazardous Substances Data)

Usage

Chemical Properties

Light yellow transparent liquid

InChI:InChI=1/C12H13FO2/c1-8(2)11(14)7-12(15)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3

Upstream product

• 115-19-5 2-methyl-but-3-yn-2-ol 
• 450-95-3 2-fluoroacetophenone 
• 97-62-1 Ethyl isobutyrate 
• 403-42-9 1-(4-fluorophenyl)ethanone 

Downstream Products

• 116645-13-7 2-<2-(1,3-dioxolan-2-yl)ethyl>-1-(4-fluorophenyl)-4-methyl-1,3-pentanedione 
• 1031246-43-1 4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methanesulfonyl)amino]pyrimidine 
• 1354455-77-8 1-(4-fluorophenyl)-2-methyl-3-isopropylpropan-1,3-dione 
• 147118-36-3 N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide 
• 147118-37-4 N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide 
• 456-03-1 1-(4-fluorophenyl)propan-1-one 
• 1356998-82-7 (E)-N-(4-(4-fluorophenyl)-5-(3-bromoprop-1-enyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide 
• 1356998-78-1 N-(4-(4-fluorophenyl)-6-isopropyl-5-(oxiran-2-ylmethyl)pyrimidin-2-yl)-N-methylmethanesulfonamide 
• 1356998-77-0 N-(4-(4-fluorophenyl)-6-isopropyl-5-(prop-1-enyl)pyrimidin-2-yl)-N-methylmethanesulfonamide 
• 1356998-76-9 N-(5-allyl-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide 
• 1356998-75-8 5-allyl-4-(4-fluorophenyl)-6-isopropyl-N-methylpyrimidin-2-amine 
• 953776-62-0 N-(4-(4-fluorophenyl)-6-isopropyl-5-methylpyrimidin-2-yl)-N-methylmethanesulfonamide 
• 1207460-34-1 4-(4-fluorophenyl)-6-isopropyl-N,5-dimethylpyrimidin-2-amine 
• 890028-66-7 (E)-N-[4-(4-fluorophenyl)-6-isopropyl-5-(3-oxoprop-1-en-1-yl)pyrimidin-2-yl]-N-methyl methanesulfoneamide 

Relevant articles and documents

Base-Catalyzed Borylation/B-O Elimination of Propynols and B2pin2 Delivering Tetrasubstituted Alkenylboronates

An efficient approach to tetrasubstituted alkenylboronates via a cascade borylation/B-O elimination of propynols and B2pin2 was disclosed. A series of tetrasubstituted alkenylboronates were readily furnished with this strategy in good yields, with further transformations leading to tetrasubstituted alkenes and β-diketones demonstrating the synthetic potential of the alkenylboronates constructed by this strategy as versatile intermediates in organic synthesis.

Synthetic method of rosuvastatin calcium key intermediate

The invention discloses a synthetic method of a rosuvastatin calcium key intermediate. The synthetic method particularly comprises the following steps: carrying out a condensation reaction between fluoroacetophenone and ethyl isobutyrate under the condition of using sodium as alkali by using isopropyl alcohol as a solvent to prepare 1-(4-fluorophenyl)-4-methyl amyl-1,3-diketone; then carrying out a ring closing reaction between the 1-(4-fluorophenyl)-4-methyl amyl-1,3-diketone and methylguanidine hydrochloride by using isopropanol as a solvent to obtain 4-(4-fluorophenyl)-6-isopropyl-N-methyl pyrimidine-2-amine; carrying out a substitution reaction between the 4-(4-fluorophenyl)-6-isopropyl-N-methyl pyrimidine-2-amine and methanesulfonyl chloride by using dichloromethane as a solvent to obtain 4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methanesulfonyl) amino] pyrimidine; finally, carrying out a Vilsmeier reaction between the 4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methanesulfonyl) amidogen] pyrimidine and DMF (Dimethyl Formamide) as well as phosphoryl chloride to obtain a target compound. The method disclosed by the invention has the advantages of being simple to operate, low in raw material price, high in availability of used raw materials, mild in reaction conditions, low in equipment requirements and production cost, easy for scale production and the like, and has significance industrial application value.

NOVEL COMPOUNDS

This invention relates to compounds of formula (I) their use as positive allosteric modulators of mGlu5 receptor activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of neurological and psychiatric disorders associated with glutamate dysfunction such as schizophrenia or cognitive decline such as dementia or cognitive impairment. A, B, Ar, R1, R2, R3 have meanings given in the description.